2-piperidin-3-ylpyrimidine;dihydrochloride

C9H15Cl2N3 — CID 126809416

IUPAC2-piperidin-3-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1cnc(C2CCCNC2)nc1
InChIInChI=1S/C9H13N3.2ClH/c1-3-8(7-10-4-1)9-11-5-2-6-12-9;;/h2,5-6,8,10H,1,3-4,7H2;2*1H
InChIKeyODIJFFYNUGBLFS-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.79
Rot. Bonds1

About 2-piperidin-3-ylpyrimidine;dihydrochloride

2-piperidin-3-ylpyrimidine;dihydrochloride (PubChem CID 126809416) has the molecular formula C9H15Cl2N3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 2-piperidin-3-ylpyrimidine;dihydrochloride.

Molecular Properties

Compound Name2-piperidin-3-ylpyrimidine;dihydrochloride
PubChem CID126809416
Molecular FormulaC9H15Cl2N3
Molecular Weight236.15 g/mol
Exact Mass235.06
IUPAC Name2-piperidin-3-ylpyrimidine;dihydrochloride
SMILESCl.Cl.c1cnc(C2CCCNC2)nc1
InChIInChI=1S/C9H13N3.2ClH/c1-3-8(7-10-4-1)9-11-5-2-6-12-9;;/h2,5-6,8,10H,1,3-4,7H2;2*1H
InChIKeyODIJFFYNUGBLFS-UHFFFAOYSA-N
XLogP1.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-piperidin-3-ylpyrimidine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Pyrimidinyl)piperazine
CID 88747
1-(2-Pyrimidyl)piperazine hydrochloride
CID 2818457
N-cyclohexylpyrimidin-2-amine
CID 21252719
2-Piperazinylpyrimidine dihydrochloride
CID 11680272
4-(Piperazin-1-yl)pyrimidin-2-amine
CID 19969682
4-(4-methylpiperazin-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 58227388
2-(Piperidin-1-yl)pyrimidine
CID 11446518
Pyrimidine, 2-hexylamino-
CID 53318062
1-(Pyrimidin-2-yl)piperidin-4-amine
CID 4778233
2-Pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3233309
3-(Pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 3234323
2-Pyrimidinamine, N-butyl-
CID 4357527

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-ylpyrimidine;dihydrochloride?
The IUPAC name of 2-piperidin-3-ylpyrimidine;dihydrochloride (CID 126809416) is 2-piperidin-3-ylpyrimidine;dihydrochloride.
What is the SMILES notation for 2-piperidin-3-ylpyrimidine;dihydrochloride?
The canonical SMILES for 2-piperidin-3-ylpyrimidine;dihydrochloride is Cl.Cl.c1cnc(C2CCCNC2)nc1.
What is the InChIKey of 2-piperidin-3-ylpyrimidine;dihydrochloride?
The InChIKey is ODIJFFYNUGBLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3.2ClH/c1-3-8(7-10-4-1)9-11-5-2-6-12-9;;/h2,5-6,8,10H,1,3-4,7H2;2*1H.
What are the key properties of 2-piperidin-3-ylpyrimidine;dihydrochloride?
2-piperidin-3-ylpyrimidine;dihydrochloride has a molecular weight of 236.15 g/mol, XLogP of 1.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-ylpyrimidine;dihydrochloride is sourced from PubChem (CID 126809416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).